SCHEMBL455133

SCHEMBL455133

CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4C[C@@H](F)C[C@@H]4c4cccc(F)c4)nc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.71
JAK2 O60674 19/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL460755 0.87 NTRK1 (0.76) NTRK1JAK2
SCHEMBL462429 0.87 NTRK1 (0.71) NTRK1JAK2
SCHEMBL455690 0.86 NTRK1 (0.68) NTRK1JAK2
SCHEMBL460701 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL469723 0.84 NTRK1 (0.63) NTRK1JAK2
SCHEMBL461074 0.84 NTRK1 (0.70) NTRK1JAK2
SCHEMBL2694809 0.83 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30009555 0.83 NTRK1 (1.00) NTRK1JAK2
SCHEMBL461252 0.82 NTRK1 (0.63) NTRK1JAK2
SCHEMBL462409 0.82 NTRK1 (0.68) NTRK1JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed